methyl 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylate

Systemtic Name: methyl 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylate Openeye Name: methyl 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylate CAS Name: 4-(methylthio)-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylate Traditional Name: 4-(methylthio)-1-[2-(4-nitrophenyl)ethyl]-6,7-dihydropyrrolo[3,2-c]pyridine-3-carboxylic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=NCC2)SC)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=NCC2)SC)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-25-18(22)14-11-20(15-7-9-19-17(26-2)16(14)15)10-8-12-3-5-13(6-4-12)21(23)24/h3-6,11H,7-10H2,1-2H3